3-(1,3-benzodioxol-5-yl)-3-[[1-oxidanylidene-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamoylamino]propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-oxidanylidene-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamoylamino]propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-[1-(2-thienylmethylcarbamoyl)pentylcarbamoylamino]propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-[[oxo-[[1-oxo-1-(thiophen-2-ylmethylamino)hexan-2-yl]amino]methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-[[1-oxo-1-(thiophen-2-ylmethylamino)hexan-2-yl]carbamoylamino]propanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-[1-(2-thenylcarbamoyl)pentylcarbamoylamino]propionic acid Formula: C22H27N3O6S MolecularWeight: 461.53128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NCC1=CC=CS1)NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC(C(=O)NCC1=CC=CS1)NC(=O)NC(CC(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H27N3O6S/c1-2-3-6-16(21(28)23-12-15-5-4-9-32-15)24-22(29)25-17(11-20(26)27)14-7-8-18-19(10-14)31-13-30-18/h4-5,7-10,16-17H,2-3,6,11-13H2,1H3,(H,23,28)(H,26,27)(H2,24,25,29)